4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C25H15ClF3N5O — CID 11511569

IUPAC4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4cccc5ccc6nccn6c45)cc3)[nH]c2c1
InChIInChI=1S/C25H15ClF3N5O/c26-18-12-15(25(27,28)29)13-19-22(18)33-24(32-19)31-16-5-7-17(8-6-16)35-20-3-1-2-14-4-9-21-30-10-11-34(21)23(14)20/h1-13H,(H2,31,32,33)
InChIKeyAVSKPEGLDKWMDI-UHFFFAOYSA-N
MW493.88 g/mol
LogP7.57
Rot. Bonds4

About 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11511569) has the molecular formula C25H15ClF3N5O and a molecular weight of 493.88 g/mol. Its IUPAC name is 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11511569
Molecular FormulaC25H15ClF3N5O
Molecular Weight493.88 g/mol
Exact Mass493.09
IUPAC Name4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4cccc5ccc6nccn6c45)cc3)[nH]c2c1
InChIInChI=1S/C25H15ClF3N5O/c26-18-12-15(25(27,28)29)13-19-22(18)33-24(32-19)31-16-5-7-17(8-6-16)35-20-3-1-2-14-4-9-21-30-10-11-34(21)23(14)20/h1-13H,(H2,31,32,33)
InChIKeyAVSKPEGLDKWMDI-UHFFFAOYSA-N
XLogP7.57
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.88
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11511569) is 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4cccc5ccc6nccn6c45)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is AVSKPEGLDKWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3N5O/c26-18-12-15(25(27,28)29)13-19-22(18)33-24(32-19)31-16-5-7-17(8-6-16)35-20-3-1-2-14-4-9-21-30-10-11-34(21)23(14)20/h1-13H,(H2,31,32,33).
What are the key properties of 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 493.88 g/mol, XLogP of 7.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11511569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).